SCHEMBL5067489

SCHEMBL5067489

COc1ccccc1CNN

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.96
GAA P10253 1/20 0.96
MAPT P10636 1/20 0.96
CHRM2 P08172 12/20 0.58
GRIN1 Q05586 4/20 0.58
GRIN2A Q12879 4/20 0.58
BCHE P06276 4/20 0.58
ACHE P22303 4/20 0.58
CHRM4 P08173 4/20 0.58
CHRM5 P08912 4/20 0.58
CHRM1 P11229 4/20 0.58
CHRM3 P20309 4/20 0.58
KDM4E B2RXH2 1/20 0.58
TP53 P04637 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
TSHR P16473 1/20 0.58
THPO P40225 1/20 0.58
RECQL P46063 1/20 0.58
IDO1 P14902 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL30831492 0.98 MAPT (1.00) ALDH1A1GAAMAPTCHRM2GRIN1
Hydrochloric Acid SCHEMBL16815789 0.98 MAPT (1.00) ALDH1A1GAAMAPTCHRM2GRIN1
Hydrochloric Acid SCHEMBL3612368 0.98 MAPT (1.00) ALDH1A1GAAMAPTCHRM2GRIN1
SCHEMBL5695121 0.83 ALDH1A1 (0.79) ALDH1A1GAAMAPTCHRM2GRIN1
SCHEMBL418619 0.81 ALDH1A1 (0.66) ALDH1A1GAAMAPTCHRM2GRIN1
SCHEMBL22838152 0.81 ALDH1A1 (0.66) ALDH1A1GAAMAPTCHRM2GRIN1
SCHEMBL15782766 0.80 ALDH1A1 (0.65) ALDH1A1GAAMAPTKDM4ECYP2D6
SCHEMBL29907950 0.80 GAA (0.64) ALDH1A1GAAMAPTTSHRTAAR1
SCHEMBL2826584 0.80 GAA (0.64) ALDH1A1GAAMAPTTSHRTAAR1
SCHEMBL4573475 0.79 ALDH1A1 (0.63) ALDH1A1GAAMAPTCHRM2GRIN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6255318-B1 CYTOMEGLO VIRUS BIOCHEM PHARMA INC. (CA) 2001-07-03 US claimed
US-20220169632-A1 METHODS AND MATERIALS FOR INCREASING OR MAINTAINING NICOTINAMIDE MONONUCLEOTIDE ADENYLYL TRANSFERASE-2 (NMNAT2) POLYPEPTIDE LEVELS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-06-02 US disclosed
US-20210300935-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS Nerviano Medical Sciences, S.R.L. (IT) 2021-09-30 US disclosed
US-20200338084-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2020-10-29 US disclosed
EP-3151669-B1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-10-28 EP disclosed
US-20200283398-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-09-10 US disclosed
US-10442777-B2 Use of substituted oxadiazoles for combating phytopathogenic fungi BASF SE (DE) 2019-10-15 US disclosed
US-20190194214-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-06-27 US disclosed
US-10280176-B2 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-05-07 US disclosed
US-20190016694-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2019-01-17 US disclosed
US-9701686-B2 Tricyclopyrazole derivatives NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-07-11 US disclosed
US-20170190714-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-07-06 US disclosed
US-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2017-05-25 US disclosed
US-9637497-B2 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors Nerviano Medical Sciences, S.R.L. (IT) 2017-05-02 US disclosed
US-20170050972-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-02-23 US disclosed
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
US-20020115106-A1 Methods for forming combinatorial libraries using reductive amination NEOGENESIS PHARMACEUTICALS, INC. 2002-08-22 US disclosed
WO-2002051775-A2 METHODS FOR FORMING COMBINATORIAL LIBRARIES USING REDUCTIVE AMINATION NEOGENESIS PHARMACEUTICALS, INC. (US) 2002-07-04 WO disclosed
WO-1996012706-A1 NOVEL ACID PYRAZOLE AND PYRAZOLONE DERIVATIVES FOR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS ROUSSEL UCLAF (FR) 1996-05-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220169632-A1 METHODS AND MATERIALS FOR INCREASING OR MAINTAINING NICOTINAMIDE MONONUCLEOTIDE ADENYLYL TRANSFERASE-2 (NMNAT2) POLYPEPTIDE LEVELS NAMPT, NMT2, NNMT ALDH1A1 1673/4885GAA 656/4885MAPT 668/4885
US-20190016694-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 ALDH1A1 1574/4885GAA 679/4885MAPT 1939/4885
US-20210300935-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 ALDH1A1 3081/4885GAA 1415/4885MAPT 2476/4885
US-20080280925-A1 Amines as Small Molecule Inhibitors CARM1, PRMT1, PRMT3 ALDH1A1 2119/4885GAA 4034/4885MAPT 71/4885
US-20190194214-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 ALDH1A1 3106/4885GAA 1416/4885MAPT 2491/4885
US-10280176-B2 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors MAP3K5, MAP3K9, MAP4K2 ALDH1A1 3106/4885GAA 1416/4885MAPT 2491/4885
US-20170190714-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 ALDH1A1 3106/4885GAA 1416/4885MAPT 2491/4885
US-10442777-B2 Use of substituted oxadiazoles for combating phytopathogenic fungi CYP51A1, DPM1, NOX1 ALDH1A1 1574/4885GAA 679/4885MAPT 1939/4885
US-20170050972-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 ALDH1A1 3106/4885GAA 1416/4885MAPT 2491/4885
US-20020115106-A1 Methods for forming combinatorial libraries using reductive amination NIT2, TST, NAAA ALDH1A1 304/4885GAA 1420/4885MAPT 2988/4885
US-20200283398-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 ALDH1A1 1574/4885GAA 679/4885MAPT 1939/4885
US-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 ALDH1A1 1574/4885GAA 679/4885MAPT 1939/4885
US-20200338084-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF ACP1, PTPRCAP, PTPRO ALDH1A1 3948/4885GAA 563/4885MAPT 3058/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.